Razupenem

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Formula C18H21N3O4S2
IUPAC Name (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3-[4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl]thiazol-2-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 407.507 g·mol−1
Heat of Formation -328.8 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 468.05 Å 3
Surface Area 371.92 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s)-6-(1-hydroxyethyl)-4-methyl-3-[4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl]thiazol-2-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-4-methyl-3-[[4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl]-1,3-thiazol-2-yl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-4-methyl-3-[[4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl]-2-thiazolyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[4-[(5s)-5-methyl-3-pyrrolin-3-yl]thiazol-2-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKey XFGOMLIRJYURLQ-GOKYHWASSA-N
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